3-benzoyl-3-azabicyclo[4.1.0]heptan-4-one

C13H13NO2 — CID 23466259

IUPAC3-benzoyl-3-azabicyclo[4.1.0]heptan-4-one
SMILESO=C1CC2CC2CN1C(=O)c1ccccc1
InChIInChI=1S/C13H13NO2/c15-12-7-10-6-11(10)8-14(12)13(16)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyFSPLEJUETYYBKS-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.70
Rot. Bonds1

About 3-benzoyl-3-azabicyclo[4.1.0]heptan-4-one

3-benzoyl-3-azabicyclo[4.1.0]heptan-4-one (PubChem CID 23466259) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-benzoyl-3-azabicyclo[4.1.0]heptan-4-one.

Molecular Properties

Compound Name3-benzoyl-3-azabicyclo[4.1.0]heptan-4-one
PubChem CID23466259
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3-benzoyl-3-azabicyclo[4.1.0]heptan-4-one
SMILESO=C1CC2CC2CN1C(=O)c1ccccc1
InChIInChI=1S/C13H13NO2/c15-12-7-10-6-11(10)8-14(12)13(16)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyFSPLEJUETYYBKS-UHFFFAOYSA-N
XLogP1.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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CID 112534683
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CID 10333493
1-benzoyl-4-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 14537163
1-(4-methoxybenzoyl)-4-phenylpyrrolidin-2-one
CID 3537198
1,4-diazatricyclo[4.3.1.03,7]dec-2-en-4-yl(phenyl)methanone
CID 129113866
1-(4-nitrobenzoyl)-4-phenylpyrrolidin-2-one
CID 4171984
3-benzoyl-1,3-oxazolidin-4-one
CID 70346533
2-benzoyl-5-phenylmethoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one
CID 18372275
4-amino-1-(4-fluorobenzoyl)pyrrolidin-2-one
CID 112534687
(5R)-3-benzoyl-5-phenyl-1,3-oxazolidin-2-one
CID 102481694
1-benzoyl-3-bromopyrrolidine-2,5-dione
CID 150359306
2-azabicyclo[2.2.1]hept-5-en-2-yl(phenyl)methanone
CID 15154157

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-3-azabicyclo[4.1.0]heptan-4-one?
The IUPAC name of 3-benzoyl-3-azabicyclo[4.1.0]heptan-4-one (CID 23466259) is 3-benzoyl-3-azabicyclo[4.1.0]heptan-4-one.
What is the SMILES notation for 3-benzoyl-3-azabicyclo[4.1.0]heptan-4-one?
The canonical SMILES for 3-benzoyl-3-azabicyclo[4.1.0]heptan-4-one is O=C1CC2CC2CN1C(=O)c1ccccc1.
What is the InChIKey of 3-benzoyl-3-azabicyclo[4.1.0]heptan-4-one?
The InChIKey is FSPLEJUETYYBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-12-7-10-6-11(10)8-14(12)13(16)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2.
What are the key properties of 3-benzoyl-3-azabicyclo[4.1.0]heptan-4-one?
3-benzoyl-3-azabicyclo[4.1.0]heptan-4-one has a molecular weight of 215.25 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-3-azabicyclo[4.1.0]heptan-4-one is sourced from PubChem (CID 23466259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).